Formula S14C132N4O10F6H100
Reduced formula S7C66N2O5F3H50
Stoichiometry A2B3C5D7E50F66
Number of species 6
Number of atoms 266
Unique ID 11
Packing density 0.029
Dipole moment [Debye] 8.266
HOMO-LUMO gap (B3LYP) [eV] 2.313
HOMO (B3LYP) [eV] -4.910
LUMO (B3LYP) [eV] -2.596
Unit Dimer
GS Energy [eV] -333001.416
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 49.692 0.000 0.000 No
2 0.000 15.574 0.000 No
3 0.000 0.000 14.752 No
Lengths [Å] 49.692 15.574 14.752
Angles [°] 90.000 90.000 90.000
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